SCHEMBL7929135

SCHEMBL7929135

CCOc1ccc(C(C)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40
CACNA1C Q13936 1/20 0.36
PPARG P37231 3/20 0.35
ALOX5 P09917 1/20 0.35
PSEN1 P49768 1/20 0.35
FFAR1 O14842 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 1/20 0.35
TACR1 P25103 1/20 0.34
KIF11 P52732 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
KAT6A Q92794 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7934909 0.90 LPAR1 (0.38) LMNAL3MBTL1LTA4HPPARGFFAR1
SCHEMBL9558590 0.89 LTA4H (0.43) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560514 0.89 MAPT (0.41) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560512 0.87 LMNA (0.40) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560321 0.87 MAPT (0.40) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10836811 0.87 LTA4H (0.41) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560700 0.86 MAPT (0.39) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10836181 0.86 LTA4H (0.40) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10752391 0.85 LTA4H (0.39) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10835453 0.85 MAPT (0.44) MAPTLMNAATML3MBTL1LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US claimed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US claimed
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US disclosed